2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol

C12H15N5O2S — CID 102506402

IUPAC2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(/N=N/c2nncs2)cc1
InChIInChI=1S/C12H15N5O2S/c18-7-5-17(6-8-19)11-3-1-10(2-4-11)14-16-12-15-13-9-20-12/h1-4,9,18-19H,5-8H2/b16-14+
InChIKeyPUHNZBRSFNGLMH-JQIJEIRASA-N
MW293.35 g/mol
LogP1.74
Rot. Bonds7

About 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol

2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol (PubChem CID 102506402) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol
PubChem CID102506402
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol
SMILESOCCN(CCO)c1ccc(/N=N/c2nncs2)cc1
InChIInChI=1S/C12H15N5O2S/c18-7-5-17(6-8-19)11-3-1-10(2-4-11)14-16-12-15-13-9-20-12/h1-4,9,18-19H,5-8H2/b16-14+
InChIKeyPUHNZBRSFNGLMH-JQIJEIRASA-N
XLogP1.74
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[N-butyl-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]butan-1-ol
CID 102506410
1-[N-(2-hydroxybutyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]butan-2-ol
CID 102506411
2-[N-(2-hydroxyethyl)-4-(1,3-thiazol-2-yldiazenyl)anilino]ethyl-trimethylazanium iodide
CID 10161719
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
[4-[bis(2-hydroxyethyl)amino]phenyl]iminocyanamide
CID 71543129
2-[N-(2-hydroxyethyl)-4-(pyridin-1-ium-3-yldiazenyl)anilino]ethanol
CID 136785700
2-[N-(2-hydroxyethyl)-4-[(1-methylpyridin-1-ium-2-yl)diazenyl]anilino]ethanol
CID 135182893
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
N'-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-chloroethanimidamide
CID 169365065
3-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]benzenesulfonic acid
CID 101369101
3-[N-(2-carboxyethyl)-3-(methoxymethylideneamino)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]propanoic acid
CID 102394415

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol (CID 102506402) is 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol is OCCN(CCO)c1ccc(/N=N/c2nncs2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol?
The InChIKey is PUHNZBRSFNGLMH-JQIJEIRASA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-7-5-17(6-8-19)11-3-1-10(2-4-11)14-16-12-15-13-9-20-12/h1-4,9,18-19H,5-8H2/b16-14+.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol has a molecular weight of 293.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-(1,3,4-thiadiazol-2-yldiazenyl)anilino]ethanol is sourced from PubChem (CID 102506402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).